Research workbench
Ligand complex of rorg lbd
Analyse Ligand complex of rorg lbd in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R7A
- Type
- protein
- Length
- 263 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nuclear receptor ror-gamma; Lys-his-lys-ile-leu-his-arg-leu-leu-gln-asp-ser
- UniProt
- P51449
- Ligands
- JUE, NA
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 73% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor ror-gamma | protein | 251 | 73% helix, 4% strand | P51449 |
| C | Lys-his-lys-ile-leu-his-arg-leu-leu-gln-asp-ser | protein | 12 | 67% helix, 0% strand | — |
Ligands and binding sites
- JUE · ~{N}-[(1~{R})-1-(4-methoxyphenyl)-2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]-2-oxidanylidene-3~{H}-pyridine-5-carboxamide · ligand · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.82 | 0.90 | 33 | JUE |
| 2 | 91 | 0.41 | 0.78 | 18 | NA |
| 3 | 63 | 0.33 | 0.76 | 16 | empty |
| 4 | 63 | 0.30 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–C · 564 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6R7A · Ligand complex of RORg LBD · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P51449
- Elsewhere: RCSB PDB 6R7A · PDBe 6R7A · UniProt P51449
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